[(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine

C16H26N2O2S — CID 105326044

IUPAC[(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESCCc1ccc(C(NN)C2CCOC3(CCSCC3)C2)o1
InChIInChI=1S/C16H26N2O2S/c1-2-13-3-4-14(20-13)15(18-17)12-5-8-19-16(11-12)6-9-21-10-7-16/h3-4,12,15,18H,2,5-11,17H2,1H3
InChIKeySHKIMGICSIWVHJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.04
Rot. Bonds4

About [(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine

[(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine (PubChem CID 105326044) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is [(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
PubChem CID105326044
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name[(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
SMILESCCc1ccc(C(NN)C2CCOC3(CCSCC3)C2)o1
InChIInChI=1S/C16H26N2O2S/c1-2-13-3-4-14(20-13)15(18-17)12-5-8-19-16(11-12)6-9-21-10-7-16/h3-4,12,15,18H,2,5-11,17H2,1H3
InChIKeySHKIMGICSIWVHJ-UHFFFAOYSA-N
XLogP3.04
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017869
[cyclopropyl-(5-ethylfuran-2-yl)methyl]hydrazine
CID 105314590
[(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193247
[(5-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105325208
[1-oxa-9-thiaspiro[5.5]undecan-4-yl(2H-triazol-4-yl)methyl]hydrazine
CID 105254675
1-(3-ethylthiophen-2-yl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105017996
[(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326001
[(5-bromofuran-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323283
[1-oxa-9-thiaspiro[5.5]undecan-4-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 105254321
[(3-methylimidazol-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105264573
[(2-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105252653
[(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326042

Frequently Asked Questions

What is the IUPAC name of [(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The IUPAC name of [(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine (CID 105326044) is [(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The canonical SMILES for [(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine is CCc1ccc(C(NN)C2CCOC3(CCSCC3)C2)o1.
What is the InChIKey of [(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
The InChIKey is SHKIMGICSIWVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-2-13-3-4-14(20-13)15(18-17)12-5-8-19-16(11-12)6-9-21-10-7-16/h3-4,12,15,18H,2,5-11,17H2,1H3.
What are the key properties of [(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine?
[(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine has a molecular weight of 310.46 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-ethylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105326044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).